In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2011 | 25 | Yes |
Popular Name: 3-(4-fluorophenyl)-1-[(3R)-3-(2-fluorophenyl)-4-methyl-piperazin-1-yl]propan-1-one 3-(4-fluorophenyl)-1-[(3R)-3-(2-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.74 | 10.06 | -9.66 | 0 | 3 | 0 | 24 | 344.405 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.74 | 11.58 | -49.74 | 1 | 3 | 1 | 25 | 345.413 | 4 | ↓ |